Name: Name:7-(CHLORO-DIFLUORO-METHYL)-5-METHYL-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
Brand: Angene
SKU: AG00FFXJ
Rating: 90 (10 reviews)

7-(CHLORO-DIFLUORO-METHYL)-5-METHYL-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID

CAS No.:

676522-75-1

Catalog Number:

AG00FFXJ

Molecular Formula:

C9H6ClF2N3O2

Molecular Weight:

261.6126

Catalog Number:

AG00FFXJ

Chemical Name:

7-(CHLORO-DIFLUORO-METHYL)-5-METHYL-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID

CAS Number:

676522-75-1

Molecular Formula:

C9H6ClF2N3O2

Molecular Weight:

261.6126

MDL Number:

MFCD04045223

IUPAC Name:

7-[chloro(difluoro)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI:

InChI=1S/C9H6ClF2N3O2/c1-4-2-6(9(10,11)12)15-7(13-4)3-5(14-15)8(16)17/h2-3H,1H3,(H,16,17)

InChI Key:

XKXGJLSKVFZORV-UHFFFAOYSA-N

SMILES:

Cc1nc2cc(nn2c(c1)C(Cl)(F)F)C(=O)O

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.613g/mol

Monoisotopic Mass:

261.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8